8-Bromo-1,2-dihydroquinolin-2-one

HCID 10933094CAS 67805-67-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1ccc2cccc(Br)c2[nH]1
InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N
Molecular formula: C9H6BrNO
Average molar mass: 224.05 g/mol
Monoisotopic mass: 222.96327591

Names & identifiers

Preferred name: 8-Bromo-1,2-dihydroquinolin-2-one
IUPAC: 8-bromo-1H-quinolin-2-one
English name: 8-Bromoquinolin-2(1H)-one
Molecular formula: C9H6BrNO
Molecular weight: 224.05

Names & synonyms

8-BROMO-1,2-DIHYDROQUINOLIN-2-ONERefChem:547675696-495-18-Bromoquinolin-2(1H)-one67805-67-88-bromo-1H-quinolin-2-one8-BROMO-2-HYDROXYQUINOLINE8-bromoquinolin-2-olMFCD087414098-bromoquinolin-2-one2(1H)-Quinolinone, 8-bromo-8-BROMO-2(1H)-QUINOLINONE

Show more names

8-BroMoquinoline-2(1h)-one8-Bromoquinolin-2(1H)-one98%8-Bromoquinolin-2(1H)-one 98%8-Bromo-1,2-dihydro-2-oxoquinoline

CHEMBL42167948-Bromocarbostyril8-Bromo8-Bromo-2-quinolone8-Bromo-2-hydroxyquinoline;8-bromo-1h-quinoline-2-oneSCHEMBL731556SCHEMBL5763166

Database identifiers

CAS: 67805-67-8
PubChem CID: 10933094
DTXSID: DTXSID30448855
ChEMBL: CHEMBL4216794
EC Number: 696-495-1
Nikkaji: J2.239.259J

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 196 · 196-198 °C
Boiling point: 390.2 · 390.2±42.0 °C(Predicted)
Density: 1.62 · 1.620±0.06 g/cm3(Predicted)
storage temp.: Room temperature.
pka: 10.7 · 10.70±0.70(Predicted)
form: Peachy beige fine crystalline needles
Appearance: Light yellow to light brown Solid
InChI: InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2Br)C=CC1=O
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
HS Code: 2933499090 · 2933499090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
hs_code: 2933499090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses8-Bromoquinolin-2(1H)-one is an organic compound that inhibits the production of inflammatory substances in the body. It is a long-chain alkene and a synthetic substance that is used to prepare pharmaceuticals.